Vitas-M small molecule compound
1-(4-chlorobenzyl)-3,7-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL296037
SMILES C#CCOc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C17H15ClN4O3 MW 358.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN4O3/c1-4-9-25-16-19-14-13(20(16)2)15(23)22(17(24)21(14)3)10-11-5-7-12(18)8-6-11/h1,5-8H,9-10H2,2-3H3InChIKey
XPUWICOMCFJXFI-UHFFFAOYSA-NSynonyms
327099-11-61((4CHLOROPHENYL)METHYL)37DIMETHYL8PROP2YNOXYPURINE26DIONE
1(4chlorobenzyl)37dimethyl8(prop2yn1yloxy)1Hpurine26(3H7H)dione
1(4chlorobenzyl)37dimethyl8(prop2yn1yloxy)37dihydro1Hpurine26dione
327099116
CN1C2=C(N=C1OCC#C)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C
InChI=1SC17H15ClN4O3c1492516191413(20(16)2)15(23)22(17(24)21(14)3)10115712(18)8611h158H910H223H3
MFCD01554683
ZINC000013512840
ZINC13512840
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